Low-energy models for correlated materials: bandwidth renormalization from Coulombic screening

Abstract

We provide a prescription for constructing Hamiltonians representing the low energy physics of correlated electron materials with dynamically screened Coulomb interactions. The key feature is a renormalization of the hopping and hybridization parameters by the processes that lead to the dynamical screening. The renormalization is shown to be non-negligible for various classes of correlated electron materials. The bandwidth reduction effect is necessary for connecting models to materials behavior and for making quantitative predictions for low-energy properties of solids.

4 pages, 2 figures

References in corpus (12)

• Correlated electronic structure of LaOFeAs
• Dynamical Mean-Field Theory within an Augmented Plane-Wave Framework: Assessing Electronic Correlations in the Iron Pnictide LaFeAsO
• Dynamical mean-field theory using Wannier functions: a flexible route to electronic structure calculations of strongly correlated materials
• Efficient DMFT-simulation of the Holstein-Hubbard Model
• Two-dimensional Hubbard-Holstein bipolaron
• Orbital fluctuations in the different phases of LaVO3 and YVO3
• Optical properties of correlated materials -- Generalized Peierls approach and its application to VO2
• Coulomb repulsion and correlation strength in LaFeAsO from Density Functional and Dynamical Mean-Field Theories
• Normal State Correlated Electronic Structure of Iron Pnictides
• Electronic Structure of Strongly Correlated Systems Emerging from Combining Path-Integral Renormalization Group with Density Functional Approach
• Bandstructure meets many-body theory: The LDA+DMFT method
• Materials Design using Correlated Oxides: Optical Properties of Vanadium Dioxide

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